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(3A-ALPHA,7A-ALPHA)-2,2-DIMETHYL-7,7A-DIHYDRO-1,3-BENZODIOXOL-4(3AH)-ONE
SpectraBase Compound ID Bha95gquA2v
InChI InChI=1S/C9H12O3/c1-9(2)11-7-5-3-4-6(10)8(7)12-9/h3-4,7-8H,5H2,1-2H3/t7-,8+/m1/s1
InChIKey YDSWYZSMUIRRRC-SFYZADRCSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DBx6TsvONMh
Name (3A-ALPHA,7A-ALPHA)-2,2-DIMETHYL-7,7A-DIHYDRO-1,3-BENZODIOXOL-4(3AH)-ONE
Compound Number 41
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-9(2)11-7-5-3-4-6(10)8(7)12-9/h3-4,7-8H,5H2,1-2H3/t7-,8+/m1/s1
InChIKey YDSWYZSMUIRRRC-SFYZADRCSA-N
Literature Reference Author M.G.BANWELL,N.HADDAD,T.HUDLICKY,T.C.NUGENT,M.F.MACKAY,S.L.RI CHARDS
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1779(1997)
Literature Reference DOI 10.1039/a700733g
Molecular Weight 168.192 g/mol
Solvent CDCl3
Source File Reference UWBS770